Durohydroquinone

HCID 136346CAS 527-18-4

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Basic information

Standard SMILES: Cc1c(C)c(O)c(C)c(C)c1O
InChIKey: SUNVJLYYDZCIIK-UHFFFAOYSA-N
Molecular formula: C10H14O2
Average molar mass: 166.22 g/mol
Monoisotopic mass: 166.09937969

Overview

Durohydroquinone is a member of the class of hydroquinones that is benzene-1,4-diol carrying four methyl groups at positions 2, 3, 5 and 6. It has a role as a volatile oil component and a bacterial xenobiotic metabolite. It is a member of hydroquinones and a methylbenzene.

Names & identifiers

Preferred name: Durohydroquinone
IUPAC: 2,3,5,6-tetramethylbenzene-1,4-diol
English name: Durohydroquinone
Molecular formula: C10H14O2
Molecular weight: 166.22

Names & synonyms

DurohydroquinoneTetramethylhydroquinone527-18-4Dihydroxydurene2,3,5,6-tetramethylbenzene-1,4-dioltetramethylbenzene-1,4-diol2,3,5,6-Tetramethylhydroquinone1,4-Benzenediol, 2,3,5,6-tetramethyl-Duro-p-hydroquinone2,3,5,6-Tetramethyl-1,4-benzenedioltetramethyl-p-benzoquinoltetramethyl-p-hydroquinone

Show more names

DuroqinolDUROCHINOLHydroduroquinoneTetramethylhydroquinone >

MFCD00045781Hydroquinone, tetramethyl-tetramethyl-1,4-benzoquinol2,5,6-TetramethylhydroquinoneR713G18TVFNSC-4016192,3,5,6-Tetramethyl-1,4-benzenediol #1,4-Dihydroxy-2,3,5,6-tetramethylbenzene

Database identifiers

CAS: 527-18-4
PubChem CID: 136346
DTXSID: DTXSID60200660
ChEMBL: CHEMBL160233
ChEBI: CHEBI:189006
UNII: R713G18TVF
Nikkaji: J11.877J

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 124

Physicochemical properties

Melting point: 233 ° · 233°
Boiling point: 254.44 °C · 254.44°C (rough estimate)
Density: 1.006 · 1.0060 (rough estimate)
refractive index: 1.5277 · 1.5277 (estimate)
storage temp.: RT, stored under nitrogen
solubility: almost transparency in hot Methanol
form: powder to crystal
pka: 11.33 · 11.33±0.33(Predicted)
color: White to Light red to Green
Merck: 14 · 14,3469
FDA UNII: 713 G18TVF · R713G18TVF
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HS Code: 2907290090 · 2907290090

Safety & regulation

Safety data

hs_code: 2907290090
risk_code: 36/37/38
safety_code: 26-36/37/39

Chemistry & industry

Suppliers48 total

上海康恩博医药科技有限公司17510465506 · [email protected]

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Additional notes · 1 item

DefinitionChEBI: Durohydroquinone is a member of the class of hydroquinones that is benzene-1,4-diol carrying four methyl groups at positions 2, 3, 5 and 6. It has a role as a volatile oil component and a bacterial xenobiotic metabolite. It is a member of hydroquinones and a methylbenzene.